| SpectraBase Spectrum ID |
5l92PfTWElb |
| Name |
Benzenepropionic acid, 3-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.287180462 u |
| Formula |
C23H38O2 |
| InChI |
InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-15-18-22(4-2)25-23(24)20-19-21-16-13-12-14-17-21/h12-14,16-17,22H,3-11,15,18-20H2,1-2H3 |
| InChIKey |
XGCHPADWKRWMAD-UHFFFAOYSA-N |
| Molecular Weight |
346.555 g/mol |
| SMILES |
C1=CC=CC(=C1)CCC(OC(CCCCCCCCCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916711 |
